methyl 3-[(4-methylphenyl)sulfonyl-phenyl-methyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonyl-phenyl-methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[phenyl(p-tolylsulfonyl)methyl]-1H-indole-6-carboxylate CAS Name: 3-[(4-methylphenyl)sulfonyl-phenylmethyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)sulfonyl-phenylmethyl]-1H-indole-6-carboxylate Traditional Name: 3-[phenyl(tosyl)methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=CNC4=C3C=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=CNC4=C3C=CC(=C4)C(=O)OC

InChI

InChI=1S/C24H21NO4S/c1-16-8-11-19(12-9-16)30(27,28)23(17-6-4-3-5-7-17)21-15-25-22-14-18(24(26)29-2)10-13-20(21)22/h3-15,23,25H,1-2H3